2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H27N7O3S — CID 164548263

IUPAC2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4)cnc3C)c2s1
InChIInChI=1S/C25H27N7O3S/c1-16-20(12-17(13-28-16)22(33)26-8-11-31-9-3-4-10-31)30-23(34)19-14-29-32-15-21(36-25(19)32)18-6-5-7-27-24(18)35-2/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,26,33)(H,30,34)
InChIKeyWYIXTTAGWRKOJO-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.25
Rot. Bonds8

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164548263) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164548263
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4)cnc3C)c2s1
InChIInChI=1S/C25H27N7O3S/c1-16-20(12-17(13-28-16)22(33)26-8-11-31-9-3-4-10-31)30-23(34)19-14-29-32-15-21(36-25(19)32)18-6-5-7-27-24(18)35-2/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,26,33)(H,30,34)
InChIKeyWYIXTTAGWRKOJO-UHFFFAOYSA-N
XLogP3.25
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164548263) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4)cnc3C)c2s1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is WYIXTTAGWRKOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-16-20(12-17(13-28-16)22(33)26-8-11-31-9-3-4-10-31)30-23(34)19-14-29-32-15-21(36-25(19)32)18-6-5-7-27-24(18)35-2/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,26,33)(H,30,34).
What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164548263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).